(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine

C10H17N3O — CID 65334856

IUPAC(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine
SMILESCn1ccnc1C(N)C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-5-4-12-10(13)9(11)8-2-6-14-7-3-8/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyGHHQGGXVXZZQRG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds2

About (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine

(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine (PubChem CID 65334856) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine
PubChem CID65334856
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine
SMILESCn1ccnc1C(N)C1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-5-4-12-10(13)9(11)8-2-6-14-7-3-8/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyGHHQGGXVXZZQRG-UHFFFAOYSA-N
XLogP0.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine (CID 65334856) is (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine is Cn1ccnc1C(N)C1CCOCC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is GHHQGGXVXZZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-5-4-12-10(13)9(11)8-2-6-14-7-3-8/h4-5,8-9H,2-3,6-7,11H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine?
(1-methylimidazol-2-yl)-(oxan-4-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 65334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).